3699-2273 Screening compound: 5-{[1-(4-bromophenyl)-1H-pyrrol-2-yl]methylidene}-2-sulfanylidene-1,3-diazinane-4,6-dione

3699-2273 Screening compound: 5-{[1-(4-bromophenyl)-1H-pyrrol-2-yl]methylidene}-2-sulfanylidene-1,3-diazinane-4,6-dione
3699-2273 Screening compound: 5-{[1-(4-bromophenyl)-1H-pyrrol-2-yl]methylidene}-2-sulfanylidene-1,3-diazinane-4,6-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 3699-2273
5-{[1-(4-bromophenyl)-1H-pyrrol-2-yl]methylidene}-2-sulfanylidene-1,3-diazinane-4,6-dione

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

3699-2273

Molecular Formula

C15H10BrN3O2S (C15 H10 BrN3 O2 S)

Compound Name

5-{[1-(4-bromophenyl)-1H-pyrrol-2-yl]methylidene}-2-sulfanylidene-1,3-diazinane-4,6-dione

IUPAC name

5-{[1-(4-bromophenyl)-1H-pyrrol-2-yl]methylidene}-2-sulfanylidene-13-diazinane-46-dione

SMILES

O=C(C(C(N1)=O)=Cc2cccn2-c(cc2)ccc2Br)NC1=S

InChI

InChI=1S/C15H10BrN3O2S/c16-9-3-5-10(6-4-9)19-7-1-2-11(19)8-12-13(20)17-15(22)18-14(12)21/h1-8H,(H2,17,18,20,21,22)

InChI Key

QOQJXQZTTVFWMO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02624508

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

376.23

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.621

Distribution Coefficient, logD

3.251

Water Solubility, LogSw

-3.94

Polar Surface Area

52.155

Acid Dissociation Constant (pKa)

7.27

Base Dissociation Constant (pKb)

-3.41

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

3699-2273 in Drug Discovery

Included in Screening Libraries

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 3699-2273 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3699-2273?
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What is the minimum amount of 3699-2273 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3699-2273
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3699-2273
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of 3699-2273 available by request